M177-0662 Screening compound: 8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-fluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

M177-0662 Screening compound: 8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-fluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
M177-0662 Screening compound: 8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-fluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M177-0662
8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-fluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M177-0662

Molecular Formula

C21H13F2N5O2 (C21 H13 F2 N5 O2)

Compound Name

8-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-fluorophenyl)methyl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one

IUPAC name

8-[3-(3-fluorophenyl)-124-oxadiazol-5-yl]-2-[(2-fluorophenyl)methyl]-2H3H-[124]triazolo[43-a]pyridin-3-one

SMILES

O=C1N(C=CC=C2c3nc(-c4cc(F)ccc4)no3)C2=NN1Cc(cccc1)c1F

InChI

InChI=1S/C21H13F2N5O2/c22-15-7-3-6-13(11-15)18-24-20(30-26-18)16-8-4-10-27-19(16)25-28(21(27)29)12-14-5-1-2-9-17(14)23/h1-11H,12H2

InChI Key

YWLIGJANZZITMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22592238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.58

Polar Surface Area

62.707

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

M177-0662 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M177-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M177-0662?
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What is the minimum amount of M177-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M177-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M177-0662
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M177-0662 available by request